2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide

• ChemBase ID: 863574
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(c(OC2CCN(C(=O)C)CC2)ccc(c1)OC)C(=O)NCCn1nccc1
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCCn1cccn1)OC1CCN(CC1)C(=O)C
• InChI: InChI=1S/C20H26N4O4/c1-15(25)23-11-6-16(7-12-23)28-19-5-4-17(27-2)14-18(19)20(26)21-9-13-24-10-3-8-22-24/h3-5,8,10,14,16H,6-7,9,11-13H2,1-2H3,(H,21,26)
• InChIKey: LAWYOTOUCJBAOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(pyrazol-1-yl)ethyl]benzamide
• Synonyms: 2-[(1-acetyl-4-piperidinyl)oxy]-5-methoxy-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705857
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21536826
• LogD (pH = 7.4): 0.21549918
• Log P: 0.21550104
• Molar Refractivity: 115.6742 cm^3
• Polarizability: 39.8546 Å^3
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.05
• LOG S: -3.6
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 6